ACCESSION: MSBNK-Keio_Univ-KO002869
RECORD_TITLE: (-)-Epinephrine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID E043

CH$NAME: Epinephrine(2)
CH$NAME: (R)-(-)-Adrenaline
CH$NAME: (R)-(-)-Epinephrine
CH$NAME: (R)-(-)-Epirenamine
CH$NAME: (R)-(-)-Adnephrine
CH$NAME: L-Adrenaline
CH$NAME: 4-[(1R)-1-Hydroxy-2-(methylamino)ethyl]-1,2-benzenediol
CH$NAME: (-)-Epinephrine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₃NO₃
CH$EXACT_MASS: 183.08954
CH$SMILES: CNC[C@H](O)c(c1)cc(O)c(O)c1
CH$IUPAC: InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m0/s1
CH$LINK: CAS 51-43-4
CH$LINK: CHEBI 28918
CH$LINK: KEGG C00788
CH$LINK: NIKKAJI J9.224J
CH$LINK: PUBCHEM SID:4046
CH$LINK: INCHIKEY UCTWMZQNUQWSLP-VIFPVBQESA-N
CH$LINK: COMPTOX DTXSID5022986

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V

MS$FOCUSED_ION: PRECURSOR_M/Z 184
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0159-0900000000-d6da72693f2867eafeeb
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  46.200 722773.0 138
  57.600 24752.5 5
  71.000 29703.0 6
  76.100 178218.0 34
  78.000 133663.5 26
  79.900 94059.5 18
  83.200 44554.5 9
  85.000 79208.0 15
  92.700 34653.5 7
  93.200 59406.0 11
  94.000 74257.5 14
  97.800 94059.5 18
  100.000 633664.0 121
  102.400 198020.0 38
  105.000 331683.5 63
  106.100 108911.0 21
  107.200 168317.0 32
  108.900 49505.0 9
  116.200 54455.5 10
  117.000 44554.5 9
  120.000 207921.0 40
  121.200 108911.0 21
  122.200 1326734.0 254
  123.300 79208.0 15
  124.100 410891.5 79
  127.800 24752.5 5
  130.700 24752.5 5
  134.200 89109.0 17
  135.200 1698021.5 324
  137.200 54455.5 10
  139.300 24752.5 5
  148.400 39604.0 8
  149.000 544555.0 104
  152.400 1212872.5 232
  166.200 1064357.5 203
  167.100 5227728.0 999
  184.200 3306934.0 632
//